AN2718

CAT: 0607-BA1681-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0607-BA1681-50Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

174672-06-1

Form

A solid

Molecular Formula

C7H6BClO2

Molecular Weight

168.39

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

An-2718

An2718 has been used in trials studying Tinea Pedis.

CAS Number	174672-06-1
PubChem CID	11845944
IUPAC Name	5-chloro-1-hydroxy-3H-2,1-benzoxaborole
Molecular Formula	C7H6BClO2
Molecular Weight	168.39
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	155

SMILES

B1(C2=C(CO1)C=C(C=C2)Cl)O

InChI

InChI=1S/C7H6BClO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4H2

InChIKey

HMAFTPZYFJFEHK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 174672-06-1

CID: 11845944

Formula: C7H6BClO2

MW: 168.39

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	168.39
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	168.0149373
Monoisotopic Mass	168.0149373
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	155
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes